Crystallography Open Database

Information card for entry 7000856

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Coordinates	7000856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 N2 O17 P2 Zn2
Calculated formula	C50 H44 N2 O17 P2 Zn2
Title of publication	Metal‒organophosphine and metal‒organophosphonium frameworks with layered honeycomb-like structures
Authors of publication	Humphrey, Simon M.; Allan, Phoebe K.; Oungoulian, Shaunt E.; Ironside, Matthew S.; Wise, Erica R.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	13
Pages of publication	2298 - 2305
a	14.5705 ± 0.0002 Å
b	25.2421 ± 0.0004 Å
c	16.0875 ± 0.0002 Å
α	90°
β	107.14 ± 0.0006°
γ	90°
Cell volume	5654.03 ± 0.14 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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